smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCN1/C(=C/c2sc3ccccc3[n+]2C)C=Cc2ccccc21	4737905	FSOAORRRECZDNM-UHFFFAOYSA-N	319.453	4.620	10	30	DJCC	
CN(C)Cc1c(O)ccc2oc(Cl)c(-c3ccccc3)c12	1843262	GGFWLXAYCVAJLJ-UHFFFAOYSA-N	301.773	4.520	10	30	DJCC	
Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1	113690	GAWGTKRLBLJFBD-UHFFFAOYSA-N	324.811	5.000	10	30	DJCC	
O=C1Nc2ccccc2/C1=C/c1cccn1-c1ccc(Cl)cc1	4363926	LLRBKJYGSQUHEB-ATVHPVEESA-N	320.779	4.623	10	30	DJCC	
CN(C)c1ccc([C@@H]2Nc3cc(Cl)ccc3O2)c(Cl)c1	144608	XQZVDQABAWGXSF-OAHLLOKOSA-N	309.196	4.563	10	30	DJCC	
Cc1cc2nc3c(Cl)c(O)c4ccccc4c3nc2cc1C	4381871	GUMCVDHVBVWEJG-UHFFFAOYSA-N	308.768	4.912	10	30	DJCC	
CN1[C@H]2CC[C@H]1CC(=C1c3ccccc3CCc3ccccc31)C2	100379719	XFZRRLHVTJPTHG-PMACEKPBSA-N	315.460	4.844	10	30	DJCC	
COc1cc(N)c(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1C	100048532	BUHDOMOJOMCPRZ-ISLYRVAYSA-N	320.736	4.563	10	30	DJCC	
Cc1ccc(C)n1-c1ccc(/C=C2/C(=O)Nc3ccccc32)cc1	112952	RJYQBYOJNLFVLN-CPNJWEJPSA-N	314.388	4.587	10	30	DJCC	
CN(C)CC/C=C1\c2ccccc2CSc2sccc21	2004348	ZLJLUTCIUOCIQM-OVCLIPMQSA-N	301.480	4.737	10	30	DJCC	
CN(C)CC(C)(C)C=C1c2ccccc2CCc2ccccc21	1996904	FMJBXFVCPIEZCX-UHFFFAOYSA-N	305.465	4.805	10	30	DJCC	
CN(C)c1ccc([C@H]2Nc3cc(Cl)ccc3O2)c(Cl)c1	144606	XQZVDQABAWGXSF-HNNXBMFYSA-N	309.196	4.563	10	30	DJCC	
Oc1cccc2ccc3nc4c(ccc5cccc(O)c54)nc3c12	6094587	MHKAOXNMFIOVAW-UHFFFAOYSA-N	312.328	4.501	10	30	DJCC	
CCN(CC)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1	5139390	NJVKVRKBXAKSKG-WUKNDPDISA-N	319.390	4.621	10	30	DJCC	
CN(C)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(Cl)c1	4361501	CDHDHBIHIDGCEZ-UHFFFAOYSA-N	323.847	4.554	10	30	DJCC	
Oc1ccc2ccccc2c1[C@H]1Nc2ccccc2-n2cccc21	138135	PSTSOVPNAZHFPV-NRFANRHFSA-N	312.372	4.851	10	30	DJCC	
Oc1c2c(c3c(ccc4c5c6c(cccc6cc43)CC5)c1O)O2	96346614	OZCFWSZDBGPRLW-UHFFFAOYSA-N	300.313	4.762	10	30	DJCC	
O=[N+]([O-])c1cc(Cl)ccc1/N=N\c1cc(F)cc(F)c1O	13469969	HCMLAZKNPZEWLY-MSUUIHNZSA-N	313.647	4.647	10	30	DJCC	
Cc1[nH]c2ccccc2c1/N=N/[C@H]1c2ccccc2N(C)N1C	6068966	XLOZCPWAIJYFGU-PNBGARPFSA-N	305.385	4.555	10	30	DJCC	
O=[N+]([O-])c1ccc(O)c(/N=N/c2c(O)ccc3ccccc23)c1	6118964	JCELUWDKTLANOY-ISLYRVAYSA-N	309.281	4.575	10	30	DJCC	
CN(c1ccccc1)c1ccc(/N=N/c2scc[n+]2C)cc1	38615398	SNCPMCKMUWEEAN-UHFFFAOYSA-N	309.418	4.756	10	30	DJCC	
Nc1ncc(N=Nc2ccccc2Cl)c(-c2ccccc2)n1	254348917	IYSNZQJZBZZHRV-UHFFFAOYSA-N	309.760	4.795	10	30	DJCC	
Oc1c(O)c(O)c2c(cc3ccc4cccc5ccc2c3c45)c1O	6094764	DXQZVENCJJJMDK-UHFFFAOYSA-N	316.312	4.560	10	30	DJCC	
CCN1/C(=C\c2ccc3ccccc3[n+]2C)Sc2ccccc21	33986095	BYVNLYSVBIKCGM-UHFFFAOYSA-N	319.453	4.595	10	30	DJCC	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1	100163365	IXIKOFRNEGVHAQ-GHRIWEEISA-N	324.811	4.926	10	30	DJCC	
CCN(CC)c1ccc(N=Nc2ccc3c(c2)OCCO3)cc1	252428598	PVGAFKHRVCNACW-UHFFFAOYSA-N	311.385	4.719	10	30	DJCC	
Cc1cc(C)c(O)c(/N=N\c2ccc(Cl)cc2[N+](=O)[O-])c1	4401027	SQOBRICMLZGBGE-MSUUIHNZSA-N	305.721	4.986	10	30	DJCC	
COC(=O)c1sccc1/N=N/c1c(O)ccc2ccccc12	4390443	XNCZQXOSEJHMAT-ISLYRVAYSA-N	312.350	4.809	10	30	DJCC	
COc1ccc(N=Nc2cnc(C)nc2-c2ccccc2)cc1	253995374	YOLUOOUPJSQVGB-UHFFFAOYSA-N	304.353	4.876	10	30	DJCC	
Cc1nn(-c2cccc(Cl)c2)c(O)c1N=Nc1ccccc1	252428439	DVTSIDXYHFGEGQ-UHFFFAOYSA-N	312.760	4.955	10	30	DJCC	
COC(=O)c1ccccc1/N=N/Nc1cccc(C(F)(F)F)c1	4376903	YDAJBCCDTOBETR-UHFFFAOYSA-N	323.274	4.603	10	30	DJCC	
Oc1ccc2ccccc2c1[C@@H]1Nc2ccccc2-n2cccc21	138132	PSTSOVPNAZHFPV-OAQYLSRUSA-N	312.372	4.851	10	30	DJCC	
CCCC/C=C/CCC/C=C/CCCCCOC(=O)C=[N+]=[N-]	96341874	VOIKYOXLNYIWHU-RINXSNKBSA-N	306.450	4.864	10	30	DJCC	
COc1ccc(-c2nc(C)ncc2N=Nc2ccccc2)cc1	253916118	YYWFBATXFXUFPP-UHFFFAOYSA-N	304.353	4.876	10	30	DJCC	
Cc1[nH]c2ccccc2c1/N=N/[C@@H]1c2ccccc2N(C)N1C	6068965	XLOZCPWAIJYFGU-MKSIGINJSA-N	305.385	4.555	10	30	DJCC	
CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12	5835091	LDADDILQPHUTNC-UHFFFAOYSA-N	300.789	4.872	10	30	DJCC	
O=C(c1ccccc1)c1cc(Cl)ccc1NCC(F)(F)F	5849484	MKBQTVZIYPYTSC-UHFFFAOYSA-N	313.706	4.545	10	30	DJCC	
COc1ccc(/N=N/c2c(O)ccc3ccccc23)c(OC)c1	25501636	YTDJHHZYTXVRHA-FMQUCBEESA-N	308.337	4.978	10	30	DJCC	
CCCCCC[n+]1ccccc1/C=C/c1ccc(N(C)C)cc1	4347681	OQPXCZGFVBKXJK-UHFFFAOYSA-N	309.477	4.791	10	30	DJCC	
CN(Cc1ccccc1)c1ccc(/N=N\c2scc[n+]2C)cc1	5159521	WHOVIFSVXZQOPT-UHFFFAOYSA-N	323.445	4.624	10	30	DJCC